0 mol 91 unq 0 iso 0 dist 9.83906 5.51406 11.5684 10.2967 19.1264 9.30539 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 5.74364 9.18898 9.52463 4.52119 4.98104 6.95572 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 5.74364 7.67331 6.07224 4.52119 4.98104 7.38677 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 8.60026 9.18898 9.30089 4.52119 10.7379 6.95572 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 8.60026 7.67331 5.77554 4.52119 10.7379 7.38677 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.79844 8.48774 6.14126 11.1132 11.5807 6.60933 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 5.28955 8.75431 5.01597 10.7421 9.93703 8.99399 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.44788 9.34823 11.5937 5.3154 12.1173 6.73586 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.3243 9.04845 4.7146 14.5617 10.4171 6.16242 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.3243 9.04845 4.7146 13.7612 6.11955 5.87634 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.95239 7.94325 4.7146 11.4104 10.4171 6.16242 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 8.95239 7.94325 4.7146 12.9605 6.11955 5.87634 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 6.23615 6.72323 4.7146 10.2385 10.4171 6.16242 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 6.23615 6.72323 4.7146 4.64588 6.11955 5.87634 numMergedOcc 0
14 mol 133 unq 6 iso 0 dist 8.63817 6.42904 9.67141 6.26797 12.7635 9.22661 numMergedOcc 0
15 mol 133 unq 7 iso 0 dist 9.31907 7.31633 10.1546 5.36939 13.1006 7.56378 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 6.60739 9.80819 12.193 9.27313 14.5372 6.22055 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 6.60739 9.80819 12.193 12.8573 17.3468 8.18085 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 9.22427 9.80819 14.6053 9.27313 16.0211 6.22055 numMergedOcc 0
19 mol 148 unq 3 iso 0 dist 9.22427 9.80819 14.6053 12.8573 16.4612 8.18085 numMergedOcc 0
20 mol 148 unq 4 iso 0 dist 5.55129 9.80819 11.2269 9.27313 12.1607 6.22055 numMergedOcc 0
21 mol 148 unq 5 iso 0 dist 5.55129 9.80819 11.2269 12.8573 16.7687 8.18085 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 6.71763 9.81665 12.1772 9.25213 14.5362 6.14675 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 6.71763 9.81665 12.1772 12.8265 17.2596 7.94889 numMergedOcc 0
24 mol 150 unq 2 iso 0 dist 9.32504 9.81665 14.5231 9.25213 15.9858 6.14675 numMergedOcc 0
25 mol 150 unq 3 iso 0 dist 9.32504 9.81665 14.5231 12.8265 16.3796 7.94889 numMergedOcc 0
26 mol 150 unq 4 iso 0 dist 5.53778 9.81665 11.1674 9.25213 12.148 6.14675 numMergedOcc 0
27 mol 150 unq 5 iso 0 dist 5.53778 9.81665 11.1674 12.8265 16.6473 7.94889 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.13872 5.66363 9.21613 9.47799 11.2315 8.90963 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 4.96259 6.95568 5.87168 4.11061 6.00053 6.59025 numMergedOcc 0
30 mol 188 unq 0 iso 0 dist 8.48582 9.37017 8.98299 4.04545 9.24118 8.10214 numMergedOcc 0
31 mol 188 unq 1 iso 0 dist 9.94804 9.37017 11.054 4.04545 12.7721 8.10214 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 7.84826 7.40027 7.07515 5.29309 11.0336 6.92924 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 7.56537 8.98598 4.91904 4.57437 8.64255 7.50013 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 7.56537 7.06689 7.59634 4.57437 8.64255 5.81233 numMergedOcc 0
35 mol 197 unq 3 iso 0 dist 7.56537 9.69601 10.3181 4.57437 8.64255 6.92924 numMergedOcc 0
36 mol 197 unq 4 iso 0 dist 9.89975 8.98598 6.79468 4.57437 10.499 7.50013 numMergedOcc 0
37 mol 197 unq 5 iso 0 dist 9.89975 7.06689 5.31205 4.57437 10.499 5.81233 numMergedOcc 0
38 mol 197 unq 6 iso 0 dist 9.89975 9.69601 15.0675 4.57437 10.499 6.92924 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 5.67196 8.62191 6.08392 18.2283 15.2431 9.68728 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 6.09754 5.86419 5.42117 4.78067 8.43584 4.8668 numMergedOcc 0
41 mol 226 unq 0 iso 0 dist 8.10096 7.04477 7.93097 10.0275 14.3079 8.80683 numMergedOcc 0
42 mol 226 unq 1 iso 0 dist 8.10096 7.04477 7.93097 5.47434 9.5723 6.11704 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 9.4886 8.63176 8.01004 8.27707 6.09782 9.63959 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 9.4886 8.63176 8.01004 13.5559 15.1009 9.96262 numMergedOcc 0
45 mol 258 unq 2 iso 0 dist 9.4886 8.63176 8.01004 6.48867 12.9664 7.21311 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 8.78928 6.38341 5.06747 5.75973 8.90885 8.83865 numMergedOcc 0
47 mol 273 unq 1 iso 0 dist 8.78928 6.38341 5.06747 9.40198 9.96963 9.18157 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 8.26851 9.11072 16.1916 9.85454 11.5132 9.85289 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 8.14634 9.11072 14.7933 9.85454 12.0331 9.85289 numMergedOcc 0
50 mol 287 unq 0 iso 0 dist 8.34389 8.42076 13.6869 8.60619 10.9612 6.89451 numMergedOcc 0
51 mol 288 unq 0 iso 0 dist 8.34389 8.42076 13.6869 8.60619 10.9612 6.89451 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 8.34389 8.42076 13.6869 8.60619 10.9612 6.89451 numMergedOcc 0
